7L8H
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![BU of 7l8h by Molmil](/molmil-images/mine/7l8h) | EV68 3C protease (3Cpro) in Complex with Rupintrivir | 分子名称: | 3C Protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | 著者 | Lockbaum, G.J, Henes, M, Lee, J.M, Timm, J, Nalivaika, E.A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A. | 登録日 | 2020-12-31 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode. Biochemistry, 60, 2021
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7RJD
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![BU of 7rjd by Molmil](/molmil-images/mine/7rjd) | Complex III2 from Candida albicans, inhibitor free, Rieske head domain in c position | 分子名称: | Cytochrome b, Cytochrome b-c1 complex subunit 2, mitochondrial, ... | 著者 | Di Trani, J.M, Rubinstein, J.L. | 登録日 | 2021-07-20 | 公開日 | 2021-09-15 | 最終更新日 | 2022-01-19 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III. Structure, 30, 2022
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7RJA
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7RJE
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![BU of 7rje by Molmil](/molmil-images/mine/7rje) | Complex III2 from Candida albicans, Inz-5 bound | 分子名称: | 3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole, Cytochrome b, Cytochrome b-c1 complex subunit 2, ... | 著者 | Di Trani, J.M, Rubinstein, J.L. | 登録日 | 2021-07-20 | 公開日 | 2021-09-15 | 最終更新日 | 2022-01-19 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III. Structure, 30, 2022
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7RJC
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![BU of 7rjc by Molmil](/molmil-images/mine/7rjc) | Complex III2 from Candida albicans, inhibitor free, Rieske head domain in intermediate position | 分子名称: | Cytochrome b, Cytochrome b-c1 complex subunit 2, mitochondrial, ... | 著者 | Di Trani, J.M, Rubinstein, J.L. | 登録日 | 2021-07-20 | 公開日 | 2021-09-15 | 最終更新日 | 2022-01-19 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III. Structure, 30, 2022
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7RJB
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![BU of 7rjb by Molmil](/molmil-images/mine/7rjb) | Complex III2 from Candida albicans, inhibitor free, Rieske head domain in b position | 分子名称: | Cytochrome b, Cytochrome b-c1 complex subunit 2, mitochondrial, ... | 著者 | Di Trani, J.M, Rubinstein, J.L. | 登録日 | 2021-07-20 | 公開日 | 2021-09-15 | 最終更新日 | 2022-01-19 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III. Structure, 30, 2022
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5A1M
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![BU of 5a1m by Molmil](/molmil-images/mine/5a1m) | Crystal structure of calcium-bound human adseverin domain A3 | 分子名称: | ADSEVERIN, CALCIUM ION | 著者 | Chumnarnsilpa, S, Robinson, R.C, Grimes, J.M, Leyrat, C. | 登録日 | 2015-05-01 | 公開日 | 2015-09-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Calcium-Controlled Conformational Choreography in the N-Terminal Half of Adseverin. Nat.Commun., 6, 2015
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5AJP
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![BU of 5ajp by Molmil](/molmil-images/mine/5ajp) | Crystal structure of the active form of GalNAc-T2 in complex with UDP and the glycopeptide MUC5AC-13 | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MANGANESE (II) ION, MUCIN, ... | 著者 | Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R. | 登録日 | 2015-02-26 | 公開日 | 2015-03-11 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation. Nat.Commun., 6, 2015
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5W0I
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![BU of 5w0i by Molmil](/molmil-images/mine/5w0i) | CREBBP Bromodomain in complex with Cpd8 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) | 分子名称: | 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein, DIMETHYL SULFOXIDE, ... | 著者 | Murray, J.M. | 登録日 | 2017-05-30 | 公開日 | 2018-03-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP). J. Med. Chem., 60, 2017
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6DF4
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![BU of 6df4 by Molmil](/molmil-images/mine/6df4) | TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one) | 分子名称: | 6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit | 著者 | Murray, J.M, Tang, Y. | 登録日 | 2018-05-14 | 公開日 | 2018-10-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | GNE-371, a Potent and Selective Chemical Probe for the Second Bromodomains of Human Transcription-Initiation-Factor TFIID Subunit 1 and Transcription-Initiation-Factor TFIID Subunit 1-like. J. Med. Chem., 61, 2018
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6DF7
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![BU of 6df7 by Molmil](/molmil-images/mine/6df7) | |
5AJQ
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![BU of 5ajq by Molmil](/molmil-images/mine/5ajq) | Human LOK (STK10) in complex with Bosutinib | 分子名称: | 1,2-ETHANEDIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, CHLORIDE ION, ... | 著者 | Elkins, J.M, Salah, E, Pinkas, D.M, Krojer, T, Kopec, J, Bountra, C, Edwards, A.M, Knapp, S. | 登録日 | 2015-02-26 | 公開日 | 2015-03-11 | 最終更新日 | 2015-04-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Stk10 with Bosutinib To be Published
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4YQW
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![BU of 4yqw by Molmil](/molmil-images/mine/4yqw) | Mutant Human DNA Polymerase Eta Q38A/R61A Inserting dCTP Opposite Template G | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... | 著者 | Su, Y, Patra, A, Harp, J.M, Egli, M, Guengerich, F.P. | 登録日 | 2015-03-13 | 公開日 | 2015-05-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.064 Å) | 主引用文献 | Roles of Residues Arg-61 and Gln-38 of Human DNA Polymerase eta in Bypass of Deoxyguanosine and 7,8-Dihydro-8-oxo-2'-deoxyguanosine. J.Biol.Chem., 290, 2015
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7RF2
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![BU of 7rf2 by Molmil](/molmil-images/mine/7rf2) | RT XFEL structure of dark-stable state of Photosystem II (0F, S1 rich) at 2.08 Angstrom | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | 登録日 | 2021-07-13 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition. Nat Commun, 12, 2021
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4YUM
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![BU of 4yum by Molmil](/molmil-images/mine/4yum) | Multiconformer synchrotron model of CypA at 300 K | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | 著者 | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | 登録日 | 2015-03-18 | 公開日 | 2015-10-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
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7RPW
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7RF8
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![BU of 7rf8 by Molmil](/molmil-images/mine/7rf8) | RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.09 Angstrom resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | 登録日 | 2021-07-13 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition. Nat Commun, 12, 2021
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7RPO
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7RPX
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7RF3
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![BU of 7rf3 by Molmil](/molmil-images/mine/7rf3) | RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.26 Angstrom resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | 登録日 | 2021-07-13 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition. Nat Commun, 12, 2021
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7RF7
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![BU of 7rf7 by Molmil](/molmil-images/mine/7rf7) | RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.09 Angstrom resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | 登録日 | 2021-07-13 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition. Nat Commun, 12, 2021
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7RF5
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![BU of 7rf5 by Molmil](/molmil-images/mine/7rf5) | RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.23 Angstrom resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | 登録日 | 2021-07-13 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition. Nat Commun, 12, 2021
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7RF1
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![BU of 7rf1 by Molmil](/molmil-images/mine/7rf1) | RT XFEL structure of Photosystem II averaged across all S-states at 1.89 Angstrom resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | 登録日 | 2021-07-13 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition. Nat Commun, 12, 2021
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4YR2
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![BU of 4yr2 by Molmil](/molmil-images/mine/4yr2) | Mutant Human DNA Polymerase Eta R61M Inserting dATP Opposite an 8-Oxoguanine Lesion | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... | 著者 | Su, Y, Patra, A, Harp, J.M, Egli, M, Guengerich, F.P. | 登録日 | 2015-03-14 | 公開日 | 2015-05-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Roles of Residues Arg-61 and Gln-38 of Human DNA Polymerase eta in Bypass of Deoxyguanosine and 7,8-Dihydro-8-oxo-2'-deoxyguanosine. J.Biol.Chem., 290, 2015
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4XUE
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![BU of 4xue by Molmil](/molmil-images/mine/4xue) | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd27b | 分子名称: | 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one, Catechol O-methyltransferase, MAGNESIUM ION, ... | 著者 | Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M. | 登録日 | 2015-01-25 | 公開日 | 2015-04-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT). Acs Med.Chem.Lett., 6, 2015
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